Sugi Predict

Sugi Predict / Compounds / SCHEMBL655557

SCHEMBL655557

SCHEMBL655557

COC(=O)Cn1ncc2ccc(N)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 7/20 0.48
▸ BRD4 O60885 1/20 0.44
▸ CHEK1 O14757 1/20 0.43
▸ AURKA O14965 1/20 0.43
▸ DAPK3 O43293 1/20 0.43
▸ CSNK1A1 P48729 1/20 0.43
▸ GSK3A P49840 1/20 0.43
▸ LIMK1 P53667 1/20 0.43
▸ IKBKE Q14164 1/20 0.43
▸ MAPK14 Q16539 1/20 0.43
▸ TAOK1 Q7L7X3 1/20 0.43
▸ CLK4 Q9HAZ1 1/20 0.43
▸ DYRK1B Q9Y463 1/20 0.43
▸ SYK P43405 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ HTR2A P28223 4/20 0.42
▸ HTR2C P28335 4/20 0.42
▸ HTR2B P41595 4/20 0.42
▸ HTR1A P08908 2/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL655559 0.89 CHEK1 (0.54) KMOCHEK1AURKADAPK3CSNK1A1
SCHEMBL24150166 0.86 IRAK4 (0.49) KMOBRD4SYKKDM4ESMN1; SMN2
SCHEMBL23631639 0.83 KMO (0.59) KMOBRD4SYKKDM4EHSD17B10
SCHEMBL13726783 0.83 KMO (0.48) KMOBRD4CHEK1AURKADAPK3
SCHEMBL13727172 0.82 KMO (0.52) KMOCHEK1AURKADAPK3CSNK1A1
SCHEMBL28140026 0.81 KMO (0.47) KMOCHEK1AURKADAPK3CSNK1A1
SCHEMBL4300707 0.80 NPC1 (0.56) KMOKDM4EHSD17B10NPC1RAB9A
SCHEMBL655451 0.79 NPC1 (0.60) KMOBRD4SYKKDM4EHSD17B10
SCHEMBL3980684 0.78 HTR2A (0.47) KMOCHEK1AURKADAPK3CSNK1A1
SCHEMBL27611541 0.78 CHEK1 (0.47) KMOBRD4CHEK1AURKADAPK3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 102 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11007193-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2021-05-18 — — US disclosed
US-10828301-B2 2,4-pyrimidinediamine compounds and their uses Rigel Pharmceuticals, Inc. (US) 2020-11-10 — — US disclosed
US-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 — — US disclosed
US-10709703-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2020-07-14 — — US disclosed
US-10682350-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2020-06-16 — — US disclosed
US-20200085820-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2020-03-19 — — US disclosed
US-20190255047-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2019-08-22 — — US disclosed
US-10369148-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2019-08-06 — — US disclosed
US-10314840-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2019-06-11 — — US disclosed
US-20180305356-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2018-10-25 — — US disclosed
US-20070225321-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2007-09-27 — — US disclosed
US-7060827-B2 Prevent immunoglobulin receptors signaling cascading; prevention diseases; drugs; antiinflammatory agents RIGEL PHARMACEUTICALS, INC. (US) 2006-06-13 — — US disclosed
US-20060003993-A1 Benzotriazepnes as gastrin and cholecystokinin receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 2006-01-05 — — US disclosed
US-20050209230-A1 2-leaving group-4-(substituted amino)-5-fluoropyrimidines such as 2-chloro-N4-(2-hydroxyphenyl)-5-fluoro-4-pyrimidineamine; chemical intermediates to compounds that inhibit the immunoglobulin (Ig) IgE and/or IgG receptor signaling cascades MIDCAP FINANCIAL TRUST 2005-09-22 — — US disclosed
EP-1443934-B1 BENZOTRIAZEPINES AS GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS BLACK JAMES FOUNDATION (GB) 2005-04-20 — — EP disclosed
US-20050038243-A1 Prevent immunoglobulin receptors signaling cascading; prevention diseases; drugs; antiinflammatory agents MIDCAP FINANCIAL TRUST 2005-02-17 — — US disclosed
US-20050026911-A1 Benzotriazapinone salts and methods for using same JANSSEN PHARMACEUTICA, N.V. (BE) 2005-02-03 — — US disclosed
EP-1443934-A1 BENZOTRIAZEPINES AS GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2004-08-11 — — EP disclosed
US-20040029902-A1 Antiinflamamtory agents MIDCAP FINANCIAL TRUST 2004-02-12 — — US disclosed
WO-2003041714-A1 BENZOTRIAZEPINES AS GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2003-05-22 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (16 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050026911-A1 Benzotriazapinone salts and methods for using same H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SLC13A3, CLIC1 KMO 1257/4885BRD4 836/4885CHEK1 1928/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK KMO 462/4885BRD4 2023/4885CHEK1 346/4885
US-20070225321-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A KMO 361/4885BRD4 772/4885CHEK1 1320/4885
US-20040029902-A1 Antiinflamamtory agents FCER2, FCGR1A, HNMT KMO 477/4885BRD4 458/4885CHEK1 1601/4885
US-20200085820-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A KMO 361/4885BRD4 772/4885CHEK1 1320/4885
US-10682350-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A KMO 361/4885BRD4 772/4885CHEK1 1320/4885
US-10709703-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A KMO 361/4885BRD4 772/4885CHEK1 1320/4885
US-10314840-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A KMO 361/4885BRD4 772/4885CHEK1 1320/4885
US-10369148-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A KMO 361/4885BRD4 772/4885CHEK1 1320/4885
US-20050209230-A1 2-leaving group-4-(substituted amino)-5-fluoropyrimidines such as 2-chloro-N4-(2-hydroxyphenyl)-5-fluoro-4-pyrimidineamine; chemical intermediates to compounds that inhibit the immunoglobulin (Ig) IgE and/or IgG receptor signaling cascades FCER2, FCGR1A, FCGR2A KMO 272/4885BRD4 1232/4885CHEK1 2788/4885
US-20050038243-A1 Prevent immunoglobulin receptors signaling cascading; prevention diseases; drugs; antiinflammatory agents FCER2, FCGR1A, FCGR2A KMO 876/4885BRD4 1720/4885CHEK1 2535/4885
US-11007193-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A KMO 361/4885BRD4 772/4885CHEK1 1320/4885
US-20190255047-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A KMO 361/4885BRD4 772/4885CHEK1 1320/4885
US-10828301-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A KMO 361/4885BRD4 772/4885CHEK1 1320/4885
US-20060003993-A1 Benzotriazepnes as gastrin and cholecystokinin receptor ligands CCKBR, GRPR, CCKAR KMO 1702/4885BRD4 615/4885CHEK1 1885/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK KMO 386/4885BRD4 1774/4885CHEK1 324/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.